General Information of the Compound
| Compound ID |
CP0530269
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| Compound Name |
2-[9-methyl-6-(4-methylpiperazin-1-yl)purin-2-yl]phenol
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| Structure |
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| Formula |
C17H20N6O
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| Molecular Weight |
324.388
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| Canonical SMILES |
CN1CCN(CC1)c1nc(nc2n(C)cnc12)-c1ccccc1O
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| InChI |
InChI=1S/C17H20N6O/c1-21-7-9-23(10-8-21)17-14-16(22(2)11-18-14)19-15(20-17)12-5-3-4-6-13(12)24/h3-6,11,24H,7-10H2,1-2H3
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| InChIKey |
HFKPILBAUKNYJA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound